Geometry & MOs

Info

ID:

193601

PubChem CID:

78412280

Reduced:

BrPN2O9C24H30 (1)

Stoich.:

ABC2D9E24F30 (1)

Weight, g/mol:

593.321334

ΔHf, kcal/mol:

-433.26

Dipole, Da:

8.11

IP(EA), eV:

 -9.47(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[7-amino-1-(dimethylamino)-1,7-dioxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)COP(=O)(O2)OCC3C(CC(O3)N4CC(C(=O)NC4=O)C=CBr)OC(=O)C(C)(C)C

DOS

IR

Vibrations